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JAC

Summary
Name:1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE
Formula:C18 H18 F3 N3 O2
Formal charge:0
Formula weight:365.35 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]benzyl}pyrrolidin-2-one
OpenEye OEToolkits1.6.11-[[4-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl]phenyl]methyl]pyrrolidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N(CCC1)Cc4ccc(n2nc(c3c2CCOC3)C(F)(F)F)cc4
SMILES_CANONICALCACTVS3.352FC(F)(F)c1nn(c2CCOCc12)c3ccc(CN4CCCC4=O)cc3
SMILESCACTVS3.352FC(F)(F)c1nn(c2CCOCc12)c3ccc(CN4CCCC4=O)cc3
SMILES_CANONICALOpenEye OEToolkits1.6.1c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4
SMILESOpenEye OEToolkits1.6.1c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4
InChIInChI1.03InChI=1S/C18H18F3N3O2/c19-18(20,21)17-14-11-26-9-7-15(14)24(22-17)13-5-3-12(4-6-13)10-23-8-1-2-16(23)25/h3-6H,1-2,7-11H2
InChIKeyInChI1.03URIDIEFPWLZYEF-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

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